Modelling of the binding site of the human m1 muscarinic receptor: Experimental validation and refinement

Journal of Computer-Aided Molecular Design

Volumn 11, Issue 4, 1997, Pages 317-332

  Bourdon, Hélène ^a   Trumpp Kallmeyer, Susanne ^b   Schreuder, Herman ^b   Hoflack, Jan ^b   Hibert, Marcel ^b   Wermuth, Camille Georges ^a  

^a CNRS   (France)

^b SANOFI   (France)

Author keywords

m1 muscarinic receptor; Molecular modelling; Receptor ligand interactions

Indexed keywords

LIGANDS;

BINDING-SITES; BOVINE RHODOPSIN; EXPERIMENTAL VALIDATIONS; HYDROPHOBIC POCKETS; M1 MUSCARINIC RECEPTOR; MUSCARINIC RECEPTOR; PROJECTION MAPS; RECEPTOR-LIGAND INTERACTIONS; REFINED MODEL; SITE DIRECTED MUTAGENESIS;

MOLECULAR MODELING;

MUSCARINIC AGENT; MUSCARINIC M1 RECEPTOR; MUSCARINIC RECEPTOR; MUSCARINIC RECEPTOR BLOCKING AGENT; RECOMBINANT PROTEIN; RHODOPSIN;

AMINO ACID SEQUENCE; ANIMAL; ARTICLE; BINDING SITE; CATTLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; HUMAN; KINETICS; METABOLISM; MOLECULAR GENETICS; PROTEIN CONFORMATION; REPRODUCIBILITY; SITE DIRECTED MUTAGENESIS;

AMINO ACID SEQUENCE; ANIMALS; BINDING SITES; CATTLE; COMPUTER SIMULATION; HUMANS; KINETICS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; MUSCARINIC AGONISTS; MUSCARINIC ANTAGONISTS; MUTAGENESIS, SITE-DIRECTED; PROTEIN CONFORMATION; RECEPTOR, MUSCARINIC M1; RECEPTORS, MUSCARINIC; RECOMBINANT PROTEINS; REPRODUCIBILITY OF RESULTS; RHODOPSIN; SOFTWARE;

EID: 0031178853     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1007963327888     Document Type: Article

References (38)

1. Nathanson, N.M., Annu. Rev. Neurosci., 10 (1987) 195.
2. Bonner, T., Buckley, N., Young, A. and Brann, M., Science, 237 (1987) 527.
3. Hulme, E.C., Birdsall, N.J.M. and Buckley, N.J., Annu. Rev. Pharmacol. Toxicol., 30 (1990) 633.
4. SYBYL, Tripos Associates Inc., St. Louis, MO, U.S.A., 1994.
5. Trumpp-Kallmeyer, S., Hoflack, J., Bruinvels, A. and Hibert, M., J. Med. Chem., 35 (1992) 3448.
6. Schertler, G.F.K., Villa, C. and Henderson, R., Nature, 362 (1993) 770.
7. Hoflack, J., Trumpp-Kallmeyer, S. and Hibert, M., Trends Pharmacol. Sci., 15 (1994) 7.
8. Baldwin, J., EMBO J., 12 (1993) 1693.
9. Brunger, A.T., X-PLOR Manual, v. 3.0, Yale University, New Haven, CT, U.S.A., 1992.
10. Jones, T.A., Methods Enzymol., 115 (1985) 57.
11. Weiner, S.J., Kollman, P.A., Case, D.A., Singh, U.C., Ohio, C., Alagona, G., Profeta Jr., S. and Weiner, P., J. Am. Chem. Soc., 106 (1984) 765.
12. Cambridge Crystallographic Data Centre, Cambridge CB2 1EZ, U.K.
13. Allen, F.H., Kennard, O. and Taylor, R., Acc. Chem. Res., 16 (1983) 146.
14. Melchiorre, C., Minarini, A., Budriesi, R., Chiarini, A., Spampinato, S. and Tumiatti, V., Life Sci., 11/12 (1995) 837.
15. Dewar, M.J.S., Zoebish, E.G., Healy, E.F. and Stewart, J.J.P., J. Am. Chem. Soc., 107 (1985) 3902.
16. Hoffmann, R., Bourguignon, J.J. and Wermuth, C.G., Pharmacochem. Libr., 16 (1991) 283.
17. Showell, G.A., Tracey, L.G., Kneen, C.O., MacLeod, A.M., Merchant, K.J., Saunders, J., Freedman, S.B., Patel, S. and Baker, R., J. Med. Chem., 34 (1991) 1086.
18. Hibert, M., Trumpp-Kallmeyer, S., Bruinvels, A. and Hoflack, J., Mol. Pharmacol., 40 (1991) 8.
19. Henderson, R., Baldwin, J.M. and Ceska, T.A., J. Mol. Biol., 213 (1990) 899.
20. Grigorieff, N., Ceska, T.A., Downing, K.H., Baldwin, J.M. and Henderson, R., J. Mol. Biol., 259 (1996) 393.
21. Kenakin, T., Trends Pharmacol. Sci., 16 (1995) 188.
22. Curtis, C.A.M., Wheatley, M., Bansal, S., Birdsall, N.J.M., Eveleigh, P., Pedder, E.K., Poyner, D. and Huhne, E.C., J. Biol. Chem., 264 (1989) 489.
23. Matsui, H., Lazareno, S. and Birdsall, N.J.M., Mol. Pharmacol., 47 (1995) 88.
24. P9 poster, 7th Swiss Workshop of Methodology in Receptor Research, 1996.
25. Olah, M.E., Jacobson, K.A. and Stiles, G.L., J. Mol. Biol., 269 (1994) 24692.
26. Hulme, E.C., Curtis, C.A.M., Page, K.M. and Jones, P.G., Life Sci., 11/12 (1995) 891.
27. Wess, J., Gdula, D. and Brann, M.R., EMBO J., 10 (1991) 3729.
28. Wess, J., Nanavati, S., Vogel, Z. and Maggio, R., EMBO J., 12 (1993) 331.
29. Murgolo, N.J., Kozlowski, J., Tice, M.A.B., Hollinger, F.P., Brown, J.E., Zhou, G., Taylor, L.A. and McQuade, R.D., Bioorg. Med. Chem. Lett., 6 (1996) 785.
30. Dixon, R.A.F., Strader, C.D. and Sigal, I.S., Annu. Rep. Med. Chem., 23 (1988) 221.
31. Bluml, K., Mutschler, E. and Wess, J., J. Biol. Chem., 29 (1994) 18870.
32. Nordvall, G. and Hacksell, U., J. Med. Chem., 36 (1993) 967.
33. Fanelli, F., Menziani, M.C., Carotti, A. and De Benedetti, P.G., Bioorg. Med. Chem., 3 (1994) 195.
34. Kier, L.B., Mol. Pharmacol., 3 (1967) 487.
35. Eberlein, W.G., Trummlitz, G., Engel, W.W., Schmidt, G., Pelzer, H. and Mayer, N., J. Med. Chem., 30 (1987) 1378.
36. Quintero, M.G., Donetti, A., Giachetti, A., Ladinsky, H., Limonta, P., Micheletti, R. and Schiavi, G.B., IXth International Symposium on Medicinal Chemistry, West Berlin, Abstract Book, 1986.
37. Barlow, R.B. and Ramtoola, S., Br. J. Pharmacol., 71 (1980) 31.
38. Fong, T.M., Cascieri, M.A., Yu, H., Bansal, A., Swain, C. and Strader, C.D., Nature, 362 (1993) 350.